Ethane, 2-bromo-1,1-diethoxy-

HCID 74852

Basic information

CAS
2032-35-1
Standard SMILES
CCOC(CBr)OCC
InChIKey
LILXDMFJXYAKMK-UHFFFAOYSA-N
Molecular formula
C6H13BrO2
Average molar mass
197.07 g/mol
Monoisotopic mass
196.00989176

Names & identifiers

Preferred name
Ethane, 2-bromo-1,1-diethoxy-
IUPAC
2-bromo-1,1-diethoxyethane
English name
Bromoacetaldehyde diethyl acetal
Molecular formula
C6H13BrO2
Molecular weight
197.07

Names & synonyms

Bromoacetaldehyde diethyl acetal2032-35-12-Bromo-1,1-diethoxyethaneEthane, 2-bromo-1,1-diethoxy-1-Bromo-2,2-diethoxyethane2,2-Diethoxyethyl bromide1,1-Diethoxy-2-bromoethaneBromacetalDiethyl bromoacetal2-Bromoacetaldehyde diethyl acetalDiethyl bromoacetaldehyde acetalAcetaldehyde, bromo-, diethyl acetal
Show more names
BROMOACETALBADEA-Bromodiethylacetal
M4DGX2BMU9NSC 8036NSC-8036EINECS 217-989-1.alpha.-Bromoacetaldehyde diethyl acetalAI3-28195DTXSID2062111RefChem:591656

Database identifiers

CAS
2032-35-1
PubChem CID
74852
DTXSID
DTXSID2062111
ChEMBL
CHEMBL2251333
UNII
M4DGX2BMU9
EC Number
217-989-1
Nikkaji
J24.192J

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
18.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient
Density1.31 @25 °C

Physicochemical properties

Boiling point
66 · 66-67 °C18 mm Hg(lit.)
Density
1.31 g/mL · 1.31 g/mL at 25 °C(lit.)
refractive index
20 · n20/D 1.439(lit.)
Flash point
125 °F · 125 °F
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (13.2%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 106 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Ethane, 2-bromo-1,1-diethoxy-

Status: Active Update: 08-05-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19580

Bromoacetaldehyde diethyl acetal: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (13.2%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

F
8-9-21
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29110000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthane, 2-bromo-1,1-diethoxy-: ACTIVE
Applications · 3 items

UsesSynthetic building block1,2

UsesBromoacetaldehyde diethyl acetal, is used as a synthetic building block. It is mainly used for synthesis of antibiotics such as erythromycin and cephalosporins and to other drugs. It also can be used as pharmaceutical intermediates. Besides, this chemical can be used to pruduce drugs such as methylthio imidazole, chlorpheniramine and others for thyroid. It also acts as a Useful intermediate for the preparation of other -heterosubstituted acetaldehyde acetals.

General DescriptionMay darken in storage

Preparation methods · 1 item

PreparationTo a flask containing 118.0 gm (1.0 mole) of diethyl acetal and 55 gm (0.55 mole) of calcium carbonate is dropwise added 55 ml (1.0 mole) of bromine over a 30-45 min period while keeping the reaction temperature at 5°-10°C. The reaction mixture is allowed to stand 24 hr, steam is introduced to dissolve the salts, the oil separated, dried over potassium carbonate, and distilled to afford 61-83 gm (31-42%), b.p. 167°-170°C. The product is further purified by shaking with potassium carbonate and distilling it under reduced pressure, b.p. 48°-49°C (3 mm Hg). The pure acetal is unstable and becomes colored in a few hours and black after several days. However, the crude acetal boiling at 167°-170°C is stable for several months.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京精维化工有限公司13270709979 · [email protected]

Related reactions

605 records

Compound notes

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